diethyl 2-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]methyl]-2-phenyl-propanedioate

Systemtic Name: diethyl 2-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]methyl]-2-phenyl-propanedioate Openeye Name: diethyl 2-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]methyl]-2-phenyl-propanedioate CAS Name: 2-[[4-[(2-butyl-1-benzimidazolyl)methyl]phenyl]methyl]-2-phenylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]methyl]-2-phenylpropanedioate Traditional Name: 2-[4-[(2-butylbenzimidazol-1-yl)methyl]benzyl]-2-phenyl-malonic acid diethyl ester Formula: C32H36N2O4 MolecularWeight: 512.63924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)CC(C4=CC=CC=C4)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)CC(C4=CC=CC=C4)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C32H36N2O4/c1-4-7-17-29-33-27-15-11-12-16-28(27)34(29)23-25-20-18-24(19-21-25)22-32(30(35)37-5-2,31(36)38-6-3)26-13-9-8-10-14-26/h8-16,18-21H,4-7,17,22-23H2,1-3H3